3-[[1-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid dihydrobromide

Systemtic Name: 3-[[1-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[1-methyl-2-[2-(4-pyridyl)ethyl]benzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[[1-methyl-2-(2-pyridin-4-ylethyl)-4-benzimidazolyl]-oxomethyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[1-methyl-2-(2-pyridin-4-ylethyl)benzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[1-methyl-2-[2-(4-pyridyl)ethyl]benzimidazole-4-carbonyl]amino]propionic acid dihydrobromide Formula: C19H22Br2N4O3 MolecularWeight: 514.21098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2N=C1CCC3=CC=NC=C3)C(=O)NCCC(=O)O.Br.Br

Isomeric SMILES

CN1C2=CC=CC(=C2N=C1CCC3=CC=NC=C3)C(=O)NCCC(=O)O.Br.Br

InChI

InChI=1S/C19H20N4O3.2BrH/c1-23-15-4-2-3-14(19(26)21-12-9-17(24)25)18(15)22-16(23)6-5-13-7-10-20-11-8-13;;/h2-4,7-8,10-11H,5-6,9,12H2,1H3,(H,21,26)(H,24,25);2*1H